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CAS No.: | 1150114-80-9 |
---|---|
Name: | 1-Methyl-1H-indazol-6-boronic acid |
Molecular Structure: | |
Formula: | C8H9BN2O2 |
Molecular Weight: | 175.983 |
Synonyms: | 1-Methylindazole-6-boronic acid; |
Density: | 1.27 g/cm3 |
Melting Point: | 277-283°C |
Boiling Point: | 397.5 °C at 760 mmHg |
Flash Point: | 194.2 °C |
Appearance: | off-white solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 58.28000 |
LogP: | -0.74690 |
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The 1-Methylindazole-6-boronic acid with the CAS number 1150114-80-9 is also called Boronic acid,B-(1-methyl-1H-indazol-6-yl)-. Its molecular formula is C8H9BN2O2. This chemical belongs to the following product categories: (1)Indazole; (2)Organoborons.
The properties of the 1-Methylindazole-6-boronic acid are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.2; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 58.28Å2; (9)Index of Refraction: 1.604; (10)Molar Refractivity: 47.67 cm3; (11)Molar Volume: 138.4 cm3; (12)Polarizability: 18.9×10-24cm3; (13)Surface Tension: 47.6 dyne/cm; (14)Enthalpy of Vaporization: 68.33 kJ/mol; (15)Vapour Pressure: 4.96×10-7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc2cnn(C)c2c1
(2)InChI: InChI=1/C8H9BN2O2/c1-11-8-4-7(9(12)13)3-2-6(8)5-10-11/h2-5,12-13H,1H3
(3)InChIKey: OMVQAWCHQBKZCF-UHFFFAOYAY